4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene

C73H73BN4 — CID 176813041

About 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene

4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene (PubChem CID 176813041) has the molecular formula C73H73BN4 and a molecular weight of 1017.23 g/mol. Its IUPAC name is 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene.

Molecular Properties

• Compound Name: 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene
• PubChem CID: 176813041
• Molecular Formula: C73H73BN4
• Molecular Weight: 1017.23 g/mol
• Exact Mass: 1016.59
• IUPAC Name: 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene
• SMILES: Cc1cc2c3c(c1)N1c4c(cc(C(C)(C)C)cc4-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)cc1c54)B3c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc1N2c1cccc2ccccc12
• InChI: InChI=1S/C73H73BN4/c1-42-32-62-66-63(33-42)78-64-39-47(72(11,12)13)37-54-53-36-46(71(8,9)10)26-31-60(53)77(67(54)64)65-40-48(73(14,15)16)38-56(68(65)78)74(66)55-28-27-49(41-61(55)76(62)57-23-19-21-43-20-17-18-22-50(43)57)75-58-29-24-44(69(2,3)4)34-51(58)52-35-45(70(5,6)7)25-30-59(52)75/h17-41H,1-16H3
• InChIKey: NYDDNGKFUMFNJC-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.23
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The IUPAC name of 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene (CID 176813041) is 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene.

What is the SMILES notation for 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The canonical SMILES for 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene is Cc1cc2c3c(c1)N1c4c(cc(C(C)(C)C)cc4-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)cc1c54)B3c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc1N2c1cccc2ccccc12.

What is the InChIKey of 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The InChIKey is NYDDNGKFUMFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H73BN4/c1-42-32-62-66-63(33-42)78-64-39-47(72(11,12)13)37-54-53-36-46(71(8,9)10)26-31-60(53)77(67(54)64)65-40-48(73(14,15)16)38-56(68(65)78)74(66)55-28-27-49(41-61(55)76(62)57-23-19-21-43-20-17-18-22-50(43)57)75-58-29-24-44(69(2,3)4)34-51(58)52-35-45(70(5,6)7)25-30-59(52)75/h17-41H,1-16H3.

What are the key properties of 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene has a molecular weight of 1017.23 g/mol, XLogP of 18.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9,16-tritert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7(12),8,10,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene is sourced from PubChem (CID 176813041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).